ID: | CHEMBL1996649 | |
---|---|---|
Name: | 4-amino-N-[3-(diethylamino)propyl]-3-[4-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide | |
Description: | ||
Labels: | Training | |
CAS: | ||
InChi Code: | InChI=1S/C28H31FN6O2S/c1-3-35(4-2)14-6-13-31-27(36)22-16-32-26(30)24-23(17-38-25(22)24)18-9-11-20(12-10-18)33-28(37)34-21-8-5-7-19(29)15-21/h5,7-12,15-17H,3-4,6,13-14H2,1-2H3,(H2,30,32)(H,31,36)(H2,33,34,37) |
pKi: LRRK2 inhibition as log(1/Ki)
Value | Source or prediction |
---|---|
6 |
experimental value |
6.058275 |
pls: PLS model of diverse drug-like compounds (Training set) |
6.561452 |
bmlr: MLR model of diverse drug-like compounds (Training set) |